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Environmental fate & pathways

Adsorption / desorption

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Description of key information

logKoc: > 3 (KOCWIN v2.00)

Key value for chemical safety assessment

Additional information

No experimental studies investigating the adsorption/desorption potential of 1,3-Propanediol, 2,2-dimethyl-, C5-9 carboxylates (CAS 85711-80-4) are available. As the substance is composed of different homologues, the log Koc values were calculated for representative components using KOCWIN v2.00 based on the Molecular Connectivity Index (MCI) (Szymoszek, 2015). This model has no universally accepted definition of model domain, but since all components are inside the general mechanistic applicability domain of the training set of the MCI model, the results are considered reliable. The high log Koc values (3.7 - 4.59) indicate a high adsorption potential, which is also to be expected based on the high log Kow (6.68 - 8.5).